Basic information
- CAS
727-99-1- Standard SMILES
O=C(c1ccccc1)c1ccccc1C(F)(F)F- InChIKey
JXIWJBWMQXDALU-UHFFFAOYSA-N- Molecular formula
- C14H9F3O
- Average molar mass
- 250.21 g/mol
- Monoisotopic mass
- 250.06054939
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)benzophenone
- IUPAC
- phenyl-[2-(trifluoromethyl)phenyl]methanone
- English name
- 2-(Trifluoromethyl)benzophenone
- Molecular formula
- C14H9F3O
- Molecular weight
- 250.22
Names & synonyms
2-(Trifluoromethyl)benzophenone727-99-1Phenyl(2-(trifluoromethyl)phenyl)methanonePhenyl[2-(trifluoromethyl)phenyl]methanoneEINECS 211-972-2DTXSID70223002RefChem:462551DTXCID30145493211-972-2phenyl-[2-(trifluoromethyl)phenyl]methanoneo-TrifluoromethylbenzophenoneMFCD00000377
Show more names
2-(Trifluoromethyl)benzophenone98%2-(TRIFLUOROMETHYL)BENZOPHENONE 99%(2-(trifluoromethyl)phenyl)(phenyl)methanone
Methanone, phenyl[2-(trifluoromethyl)phenyl]-Q7K3BJ3MGJ2-trifluoromethyl-benzophenone2-TRIFLUOROMETHYLBENZOPHENONEBenzophenone, 2-(trifluoromethyl)-2-(Trifluoromethyl)benzophenone, 99%Q63409207phenyl 2-(trifluoromethyl)phenyl ketone
Database identifiers
- CAS
727-99-1- PubChem CID
- 69764
- DTXSID
DTXSID70223002- UNII
- Q7K3BJ3MGJ
- EC Number
- 211-972-2
- Nikkaji
- J193.098B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 60 · 60-62 °C
- Boiling point
- 175 · 175-178 °C(Press: 31 Torr)
- Density
- 1.2778 · 1.2778 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- Off-white
- BRN
- 2375025 · 2375025
- InChI
- 1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H
- InChIKey
- JXIWJBWMQXDALU-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccccc1C(=O)c2ccccc2
- CAS DataBase Reference
- 727 · 727-99-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAssymmetric reduction of 2-(trifluoromethyl)benzophenone by lithium aluminium hydride treated with (S)-(+) or (R)-(−)-2 (2-iso-indolinyl)butan-1-ol has been investigated.
General DescriptionAssymmetric reduction of 2-(trifluoromethyl)benzophenone by lithium aluminium hydride treated with (S)-(+) or (R)-()-2 (2-iso-indolinyl)butan-1-ol has been investigated.
Suppliers58 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
河北汤武科技有限公司15632360893 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited
Related reactions
1 records
Compound notes
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